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Receptor
PDB id Resolution Class Description Source Keywords
1L1Q 1.85 Å EC: 2.4.2.7 CRYSTAL STRUCTURE OF APRTASE FROM GIARDIA LAMBLIA COMPLEXED DEAZAADENINE GIARDIA INTESTINALIS ADENINE APRTASE GIARDIA LAMBLIA PURINE METABOLISM CATALYTRANSFERASE
Ref.: CLOSED SITE COMPLEXES OF ADENINE PHOSPHORIBOSYLTRAN FROM GIARDIA LAMBLIA REVEAL A MECHANISM OF RIBOSYL MIGRATION. J.BIOL.CHEM. V. 277 39981 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
9DA A:201;
Valid;
none;
submit data
134.139 C6 H6 N4 c1c[n...
SO4 A:301;
A:302;
A:303;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1L1Q 1.85 Å EC: 2.4.2.7 CRYSTAL STRUCTURE OF APRTASE FROM GIARDIA LAMBLIA COMPLEXED DEAZAADENINE GIARDIA INTESTINALIS ADENINE APRTASE GIARDIA LAMBLIA PURINE METABOLISM CATALYTRANSFERASE
Ref.: CLOSED SITE COMPLEXES OF ADENINE PHOSPHORIBOSYLTRAN FROM GIARDIA LAMBLIA REVEAL A MECHANISM OF RIBOSYL MIGRATION. J.BIOL.CHEM. V. 277 39981 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1L1Q - 9DA C6 H6 N4 c1c[nH]c2c....
2 1L1R - PRP C5 H13 O14 P3 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1L1Q - 9DA C6 H6 N4 c1c[nH]c2c....
2 1L1R - PRP C5 H13 O14 P3 C([C@@H]1[....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5VJP Ki = 14.9 uM IR9 C6 H15 N O10 P2 C([C@H]1[C....
2 5VJN Ki = 8.7 uM IR8 C6 H15 N O10 P2 C([C@@H]1[....
3 5YW5 - ADE C5 H5 N5 c1[nH]c2c(....
4 1L1Q - 9DA C6 H6 N4 c1c[nH]c2c....
5 1L1R - PRP C5 H13 O14 P3 C([C@@H]1[....
6 6FD4 - PRP C5 H13 O14 P3 C([C@@H]1[....
7 6FCL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
8 6FCH - PRP C5 H13 O14 P3 C([C@@H]1[....
9 6FD6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 1ZN8 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
11 6FD5 - PPV H4 O7 P2 OP(=O)(O)O....
12 1ZN7 - HSX C5 H11 O8 P C([C@@H]1[....
13 1ORE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
14 6FCI - PRP C5 H13 O14 P3 C([C@@H]1[....
15 1ZN9 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 9DA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9DA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1L1Q; Ligand: 9DA; Similar sites found with APoc: 164
This union binding pocket(no: 1) in the query (biounit: 1l1q.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3MQG ACO None
2 2ET1 GLV None
3 2CHT TSA None
4 3E3U NVC None
5 5EYY MDM 1.07527
6 3ACC 5GP 1.10497
7 3W6X HZP 1.6129
8 2PHR MAN MAN 1.6129
9 2PHW MAN MAN 1.6129
10 2GND MAN 1.6129
11 1Q8P MAN MMA 1.6129
12 2PHF MAN MAN 1.6129
13 1Q8V MAN MAN 1.6129
14 2PHU MAN MAN 1.6129
15 2GND MAN MMA 1.6129
16 1Q8O MAN MMA 1.6129
17 2PHT MAN MAN MAN 1.6129
18 4NAE 1GP 1.6129
19 1Q8V MAN MAN MAN 1.6129
20 2AUY NAG MAN MMA 1.6129
21 2PHX MAN MAN MAN MAN 1.6129
22 4JGP PYR 1.6129
23 2PHR MAN MAN BMA MAN 1.6129
24 3M3E GAL A2G NPO 1.86335
25 3P48 DUP 2.04082
26 3LN9 FLC 2.15827
27 3GD8 GOL 2.68817
28 5J60 FAD 2.68817
29 4GV8 DUP 2.95858
30 1BZY IMU 3.22581
31 1LH0 PRP 3.22581
32 5MQW ATP 3.22581
33 5MQW GTP 3.22581
34 3B8I OXL 3.22581
35 1LH0 ORO 3.22581
36 1VRP IOM 3.22581
37 1U6R IOM 3.22581
38 2A9W GA9 3.22581
39 2A9W UMP 3.22581
40 1JG0 UMP 3.22581
41 6CDZ UMP 3.22581
42 4EIL UMP 3.22581
43 1NCE UMP 3.22581
44 4ISK UMP 3.22581
45 4OOP DUP 3.61446
46 2RDK MAN MAN 3.66972
47 5GVR LMR 3.76344
48 2PS1 PRP 3.76344
49 2PS1 ORO 3.76344
50 5VLQ ANP 3.76344
51 1JG3 ADN 3.76344
52 5WS9 OXL 3.76344
53 5UBG PRT 3.76344
54 4YSW FAD 3.76344
55 4YSW NAI 3.76344
56 1V97 FAD 3.76344
57 3WVR AMP 3.76344
58 5Y5Q DUT 4.02299
59 3W8X FAD 4.05983
60 3W8X FTK 4.05983
61 6AR9 3L4 4.30108
62 5E5U MLI 4.30108
63 2WE0 UMP 4.30108
64 4WBD CIT 4.30108
65 2IZ1 ATR 4.30108
66 1GVF PGH 4.30108
67 1P1C SAH 4.30108
68 4CP8 MLI 4.31212
69 1PZM 5GP 4.83871
70 6APV 3L4 4.83871
71 2JKY 5GP 4.83871
72 5WXU FLC 4.83871
73 3JQ8 DX3 4.83871
74 3JQ9 AX1 4.83871
75 5AE2 FYC 4.83871
76 5AE2 FAD 4.83871
77 2BO4 FLC 4.83871
78 3JQB DX6 4.83871
79 5K6A 6QT 4.83871
80 1PNF NDG NAG 4.83871
81 3AB4 THR 4.83871
82 3BMO AX4 4.83871
83 3OZG SSI 5.37634
84 4PPF FLC 5.37634
85 2NU8 COA 5.37634
86 1XX6 ADP 5.37634
87 5KBE IPH 5.37634
88 4RHY 3QG 5.91398
89 1QHO MAL 5.91398
90 3VC3 C6P 5.91398
91 4AMW 5DI 5.91398
92 4JNA FAD 5.91398
93 1SQL GUN 6.16438
94 1P19 IMP 6.45161
95 3RS8 ALA TRP LEU PHE GLU ALA 6.45161
96 5H3A UMP 6.45161
97 4AUT FAD 6.45161
98 5VJE GOS 6.45161
99 3QH2 3NM 6.45161
100 4P8K 38C 6.45161
101 4P8K FAD 6.45161
102 3C3Y SAH 6.45161
103 5BSZ THM 6.98925
104 1XCL SAH 6.98925
105 1JW0 GUA 6.98925
106 3ZEI AWH 7.09677
107 2PWY SAH 7.36434
108 3MB5 SAM 7.52688
109 2YRX AMP 7.52688
110 1EYR CDP 7.52688
111 1FFU FAD 7.97546
112 1QK3 5GP 8.06452
113 2QZS 250 8.60215
114 2QZS GLC 8.60215
115 2QZS ADP 8.60215
116 4KFU ACP 8.60215
117 4ZOH FAD 8.60215
118 4R2I ANP 8.60215
119 5LXB 7A9 8.60215
120 6FLZ MMA 9.02778
121 2JBH 5GP 9.13978
122 3FXU TSU 9.13978
123 6FOG OXL 9.13978
124 1D6Z HY1 9.13978
125 1DL5 SAH 9.13978
126 4Z1D PEP 9.13978
127 1UW1 ADP 10
128 1XF1 CIT 10.2151
129 1LYX PGA 10.2151
130 1HGX 5GP 10.3825
131 1XTT U5P 10.7527
132 3B6R CRN 10.7527
133 1E8G FAD 10.7527
134 5KVA SAM 10.7527
135 1E8G FCR 10.7527
136 3HVJ 705 10.7527
137 4YKI GLY 10.7527
138 5EY0 GTP 10.7527
139 5G5G FAD 11.2903
140 1DQN IMU 11.828
141 5VE5 GSH 11.828
142 1RRC ADP 11.828
143 3HRD FAD 12.3656
144 2CXG GLC GLC 12.3656
145 1N62 FAD 12.9032
146 3NRZ FAD 12.9032
147 1RM6 FAD 12.9032
148 5Y6Q FAD 13.9785
149 3MBI HSX 14.5161
150 1O5O U5P 15.0538
151 1T36 ORN 17.2043
152 4MUV PCG 17.6056
153 1UPF URF 17.7419
154 4GYS MLI 17.7419
155 1T3Q FAD 18.2796
156 1J3I UMP 19.3548
157 4GQY AMP 19.3939
158 2NYA MGD 20.4301
159 4JLS 3ZE 28.2895
160 1P4A PCP 29.0323
161 4P83 U5P 30.7692
162 2FXV 5GP 31.1828
163 4P86 5GP 32.2404
164 1QB7 ADE 44.086
Pocket No.: 2; Query (leader) PDB : 1L1Q; Ligand: 9DA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1l1q.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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